(2-methyl-4-nitro-pyrazol-3-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (2-methyl-4-nitro-pyrazol-3-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (2-methyl-4-nitro-pyrazol-3-yl)-[4-(p-tolylmethyl)piperazin-1-yl]methanone CAS Name: (2-methyl-4-nitro-3-pyrazolyl)-[4-[(4-methylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (2-methyl-4-nitropyrazol-3-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [4-(4-methylbenzyl)piperazino]-(2-methyl-4-nitro-pyrazol-3-yl)methanone Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C=NN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C=NN3C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3/c1-13-3-5-14(6-4-13)12-20-7-9-21(10-8-20)17(23)16-15(22(24)25)11-18-19(16)2/h3-6,11H,7-10,12H2,1-2H3